[4-(2-methylphenyl)-5-[methyl(2-phenylpropan-2-yl)carbamoyl]pyrimidin-2-yl]boron

Systemtic Name: [4-(2-methylphenyl)-5-[methyl(2-phenylpropan-2-yl)carbamoyl]pyrimidin-2-yl]boron Openeye Name: [5-[methyl-(1-methyl-1-phenyl-ethyl)carbamoyl]-4-(o-tolyl)pyrimidin-2-yl]boron CAS Name: [4-(2-methylphenyl)-5-[[methyl(2-phenylpropan-2-yl)amino]-oxomethyl]-2-pyrimidinyl]boron IUPAC Name: [4-(2-methylphenyl)-5-[methyl(2-phenylpropan-2-yl)carbamoyl]pyrimidin-2-yl]boron Traditional Name: [5-[cumyl(methyl)carbamoyl]-4-(o-tolyl)pyrimidin-2-yl]boron Formula: C22H22BN3O MolecularWeight: 355.24058

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Descriptors Computed from Structure

Canonical SMILES:

[B]C1=NC=C(C(=N1)C2=CC=CC=C2C)C(=O)N(C)C(C)(C)C3=CC=CC=C3

Isomeric SMILES

[B]C1=NC=C(C(=N1)C2=CC=CC=C2C)C(=O)N(C)C(C)(C)C3=CC=CC=C3

InChI

InChI=1S/C22H22BN3O/c1-15-10-8-9-13-17(15)19-18(14-24-21(23)25-19)20(27)26(4)22(2,3)16-11-6-5-7-12-16/h5-14H,1-4H3